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BDBM50414842 CHEMBL572708

SMILES: Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3cncnc3C2)CC1

InChI Key: InChIKey=ZOGCPCPBHXLAHX-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50414842   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50414842
PNG
(CHEMBL572708)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3cncnc3C2)CC1
Show InChI InChI=1S/C21H21FN4O2/c22-15-1-2-16-20(9-15)28-25-21(16)14-3-5-26(6-4-14)11-13-7-18-17(19(27)8-13)10-23-12-24-18/h1-2,9-10,12-14H,3-8,11H2
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MMDB

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Article
PubMed
23.4n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor


Bioorg Med Chem Lett 19: 6059-62 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50414842
PNG
(CHEMBL572708)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3cncnc3C2)CC1
Show InChI InChI=1S/C21H21FN4O2/c22-15-1-2-16-20(9-15)28-25-21(16)14-3-5-26(6-4-14)11-13-7-18-17(19(27)8-13)10-23-12-24-18/h1-2,9-10,12-14H,3-8,11H2
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Article
PubMed
135n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor


Bioorg Med Chem Lett 19: 6059-62 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414842
PNG
(CHEMBL572708)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3cncnc3C2)CC1
Show InChI InChI=1S/C21H21FN4O2/c22-15-1-2-16-20(9-15)28-25-21(16)14-3-5-26(6-4-14)11-13-7-18-17(19(27)8-13)10-23-12-24-18/h1-2,9-10,12-14H,3-8,11H2
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PubMed
158n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2 receptor


Bioorg Med Chem Lett 19: 6059-62 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50414842
PNG
(CHEMBL572708)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3cncnc3C2)CC1
Show InChI InChI=1S/C21H21FN4O2/c22-15-1-2-16-20(9-15)28-25-21(16)14-3-5-26(6-4-14)11-13-7-18-17(19(27)8-13)10-23-12-24-18/h1-2,9-10,12-14H,3-8,11H2
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Article
PubMed
282n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor


Bioorg Med Chem Lett 19: 6059-62 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50414842
PNG
(CHEMBL572708)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2CC(=O)c3cncnc3C2)CC1
Show InChI InChI=1S/C21H21FN4O2/c22-15-1-2-16-20(9-15)28-25-21(16)14-3-5-26(6-4-14)11-13-7-18-17(19(27)8-13)10-23-12-24-18/h1-2,9-10,12-14H,3-8,11H2
Reactome pathway
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PC sid
UniChem

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Article
PubMed
501n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor


Bioorg Med Chem Lett 19: 6059-62 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.041
BindingDB Entry DOI: 10.7270/Q2M046P5
More data for this
Ligand-Target Pair